#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2e7c s SER 2 N 0.00 2.17 -0.29 1.61 1.04 -1.26 -5.12 113.70 111.85 2e7c s SER 2 Ca 0.00 -0.41 0.02 0.00 0.48 0.00 0.00 55.95 56.03 2e7c s SER 2 Cb 0.00 -0.21 0.08 0.00 0.10 0.00 0.00 66.02 66.00 2e7c s SER 2 CO 0.00 0.17 0.01 -0.44 0.98 0.00 0.00 173.24 173.96 2e7c s SER 3 N -0.79 4.23 0.00 7.02 0.01 -1.26 -4.83 113.70 118.08 2e7c s SER 3 Ca 0.06 -1.62 0.00 0.00 1.31 0.00 0.00 55.95 55.70 2e7c s SER 3 Cb -0.08 -1.27 0.00 0.00 0.21 0.00 0.00 66.02 64.88 2e7c s SER 3 CO 0.00 -0.32 0.00 0.61 0.41 0.00 0.00 173.24 173.94 2e7c n GLY 4 N 4.56 0.70 0.19 3.44 0.00 -1.26 -5.05 105.19 107.78 2e7c n GLY 4 Ca -0.05 -0.81 -0.17 0.00 0.00 0.00 0.00 46.02 44.99 2e7c n GLY 4 CO 0.00 0.00 0.00 1.48 0.00 0.00 0.00 173.32 174.80 2e7c h SER 5 N 0.00 0.73 -2.53 1.61 4.64 -2.05 -3.38 113.55 112.57 2e7c h SER 5 Ca 0.00 -0.65 -0.72 0.00 -0.47 0.00 0.00 61.79 59.95 2e7c h SER 5 Cb 0.00 -0.22 -0.19 0.00 -0.31 0.00 0.00 62.40 61.68 2e7c h SER 5 CO 0.00 1.27 0.90 -0.94 -0.87 0.00 0.00 176.83 177.18 2e7c s SER 6 N -6.85 6.81 -0.61 4.97 1.04 -1.26 -4.86 113.70 112.94 2e7c s SER 6 Ca -0.12 -2.47 0.02 0.00 0.48 0.00 0.00 55.95 53.86 2e7c s SER 6 Cb 0.06 -2.37 0.40 0.00 0.10 0.00 0.00 66.02 64.21 2e7c s SER 6 CO 0.86 -0.88 1.57 0.61 0.98 0.00 0.00 173.24 176.37 2e7c n GLY 7 N 4.80 5.83 3.40 7.32 0.00 -1.26 -4.94 105.19 120.34 2e7c n GLY 7 Ca 0.27 -2.61 -0.07 0.00 0.00 0.00 0.00 46.02 43.61 2e7c n GLY 7 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2e7c s THR 8 N -5.22 -0.60 -0.47 2.61 2.01 -1.26 -5.12 115.64 107.58 2e7c s THR 8 Ca 0.51 0.10 -0.14 0.00 0.31 0.00 0.00 61.69 62.47 2e7c s THR 8 Cb 0.43 -0.78 0.09 0.00 0.01 0.00 0.00 72.50 72.25 2e7c s THR 8 CO -0.25 0.04 0.38 -0.76 -0.69 0.00 0.00 174.62 173.34 2e7c s LEU 9 N 2.44 5.62 -0.29 4.42 2.01 -1.26 -5.01 118.68 126.61 2e7c s LEU 9 Ca -0.05 -1.50 -0.10 0.00 0.01 0.00 0.00 54.13 52.49 2e7c s LEU 9 Cb -0.11 -2.13 0.12 0.00 0.01 0.00 0.00 46.19 44.09 2e7c s LEU 9 CO -0.15 -0.66 0.64 0.00 1.01 0.00 0.00 176.35 177.18 2e7c s ALA 10 N 1.56 -1.97 -0.34 4.21 0.00 -1.26 -5.12 121.76 118.84 2e7c s ALA 10 Ca 0.04 2.30 -0.00 0.00 0.00 0.00 0.00 51.96 54.29 2e7c s ALA 10 Cb -0.25 -1.72 0.11 0.00 0.00 0.00 0.00 23.12 21.26 2e7c s ALA 10 CO 0.04 -0.87 0.13 -0.65 0.00 0.00 0.00 175.76 174.41 2e7c s GLN 11 N 2.77 0.81 0.04 0.00 -1.52 -1.26 -5.11 119.66 115.38 2e7c s GLN 11 Ca -0.06 -1.26 -0.30 0.00 -1.95 0.00 0.00 55.36 51.79 2e7c s GLN 11 Cb -0.11 -2.01 -0.06 0.00 -0.22 0.00 0.00 33.01 30.60 2e7c s GLN 11 CO -0.19 -1.03 1.42 -1.25 -0.25 0.00 0.00 175.29 174.00 2e7c s PRO 12 N 1.36 4.28 -0.05 2.91 0.04 -1.26 -5.02 135.00 137.27 2e7c s PRO 12 Ca 0.12 2.03 -0.02 0.00 0.04 0.00 0.00 61.00 63.17 2e7c s PRO 12 Cb -0.19 -3.50 0.04 0.00 0.04 0.00 0.00 34.50 30.89 2e7c s PRO 12 CO -0.19 -0.55 0.09 0.08 0.04 0.00 0.00 177.00 176.47 2e7c s VAL 13 N 2.10 -0.08 0.06 -0.36 1.01 -1.26 -5.15 120.40 116.72 2e7c s VAL 13 Ca 0.65 0.24 -0.26 0.00 0.00 0.00 0.00 61.98 62.61 2e7c s VAL 13 Cb -0.34 -0.17 0.08 0.00 0.00 0.00 0.00 36.38 35.95 2e7c s VAL 13 CO 0.28 0.10 0.71 0.28 0.00 0.00 0.00 175.10 176.47 2e7c s THR 14 N 1.36 0.00 -0.06 3.92 -1.32 -1.26 -5.17 115.64 113.11 2e7c s THR 14 Ca -0.06 0.00 0.04 0.00 -1.21 0.00 0.00 61.69 60.45 2e7c s THR 14 Cb -0.12 -1.00 0.00 0.00 -1.51 0.00 0.00 72.50 69.87 2e7c s THR 14 CO -0.04 0.00 -0.17 -0.63 -2.21 0.00 0.00 174.62 171.56 2e7c s ILE 15 N -2.96 1.49 0.32 5.08 1.01 -1.26 -5.13 121.20 119.76 2e7c s ILE 15 Ca -0.00 -0.72 -0.27 0.00 0.00 0.00 0.00 60.65 59.66 2e7c s ILE 15 Cb -0.01 -1.31 -0.09 0.00 0.01 0.00 0.00 42.46 41.06 2e7c s ILE 15 CO -0.07 0.43 1.05 0.00 0.00 0.00 0.00 174.94 176.36 2e7c s ARG 16 N 0.32 4.49 0.24 2.79 1.70 -1.26 -5.04 118.95 122.18 2e7c s ARG 16 Ca -0.11 1.63 -0.12 0.00 -0.47 0.00 0.00 55.73 56.66 2e7c s ARG 16 Cb -0.15 -2.94 -0.08 0.00 -0.57 0.00 0.00 34.95 31.22 2e7c s ARG 16 CO 0.04 0.12 0.60 -2.00 -1.08 0.00 0.00 175.30 172.98 2e7c s GLU 17 N -1.84 3.89 0.33 3.89 2.12 -1.26 -5.01 118.70 120.82 2e7c s GLU 17 Ca 0.49 0.42 -0.21 0.00 0.36 0.00 0.00 54.97 56.03 2e7c s GLU 17 Cb -0.27 -2.65 -0.15 0.00 0.26 0.00 0.00 34.13 31.33 2e7c s GLU 17 CO 0.34 0.31 0.16 -0.89 -0.54 0.00 0.00 175.26 174.64 2e7c n ILE 18 N -0.02 0.84 0.07 -3.70 5.41 -1.26 -4.87 119.36 115.83 2e7c n ILE 18 Ca 0.00 -0.46 -0.11 0.00 1.00 0.00 0.00 62.75 63.18 2e7c n ILE 18 Cb 0.52 0.00 -0.13 0.00 -0.71 0.00 0.00 39.64 39.32 2e7c n ILE 18 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 176.55 176.55 2e7c h ALA 19 N 0.42 0.28 -1.83 -1.39 0.00 -1.95 -3.47 119.26 111.32 2e7c h ALA 19 Ca -0.32 -0.95 0.03 0.00 0.00 0.00 0.00 54.91 53.67 2e7c h ALA 19 Cb 1.32 -0.02 -0.23 0.00 0.00 0.00 0.00 17.79 18.86 2e7c h ALA 19 CO 0.45 1.17 0.19 -2.00 0.00 0.00 0.00 179.25 179.06 2e7c s GLU 20 N -2.68 0.63 0.59 0.00 2.12 -1.22 -4.83 118.70 113.32 2e7c s GLU 20 Ca -0.02 0.96 -0.17 0.00 0.36 0.00 0.00 54.97 56.09 2e7c s GLU 20 Cb 0.09 0.20 -0.03 0.00 0.26 0.00 0.00 34.13 34.64 2e7c s GLU 20 CO 0.84 -0.11 1.12 -1.25 -0.54 0.00 0.00 175.26 175.33 2e7c s PRO 21 N 1.09 3.11 0.65 4.30 0.04 -1.26 -1.50 135.00 141.44 2e7c s PRO 21 Ca -0.06 1.51 -0.15 0.00 0.04 0.00 0.00 61.00 62.35 2e7c s PRO 21 Cb -0.05 -1.98 -0.00 0.00 0.04 0.00 0.00 34.50 32.51 2e7c s PRO 21 CO -0.12 -1.03 1.11 -1.25 0.04 0.00 0.00 177.00 175.75 2e7c s PRO 22 N -3.64 2.82 -0.30 0.56 0.04 -1.26 -3.60 135.00 129.62 2e7c s PRO 22 Ca 0.70 1.40 -0.08 0.00 0.04 0.00 0.00 61.00 63.06 2e7c s PRO 22 Cb -0.22 -1.95 0.16 0.00 0.04 0.00 0.00 34.50 32.53 2e7c s PRO 22 CO 0.33 -1.23 0.76 0.21 0.04 0.00 0.00 177.00 177.11 2e7c s LYS 23 N -4.06 0.46 -0.55 4.56 2.47 -1.19 -4.92 119.74 116.51 2e7c s LYS 23 Ca 0.67 0.99 -0.24 0.00 -1.56 0.00 0.00 55.97 55.83 2e7c s LYS 23 Cb -0.21 0.58 0.04 0.00 -1.46 0.00 0.00 37.83 36.78 2e7c s LYS 23 CO 0.41 -0.32 0.93 0.42 0.16 0.00 0.00 175.35 176.94 2e7c s ILE 24 N 2.80 4.41 -0.98 5.43 1.01 -1.26 -1.65 121.20 130.96 2e7c s ILE 24 Ca 0.05 0.22 -0.18 0.00 0.00 0.00 0.00 60.65 60.74 2e7c s ILE 24 Cb -0.12 -4.53 0.14 0.00 0.01 0.00 0.00 42.46 37.97 2e7c s ILE 24 CO -0.18 -1.11 1.18 -0.13 0.00 0.00 0.00 174.94 174.70 2e7c s ARG 25 N 3.88 3.70 -0.01 2.79 1.81 -0.85 -5.01 118.95 125.26 2e7c s ARG 25 Ca 0.29 -1.95 -0.15 0.00 -1.72 0.00 0.00 55.73 52.20 2e7c s ARG 25 Cb -0.13 -4.93 -0.06 0.00 -0.45 0.00 0.00 34.95 29.38 2e7c s ARG 25 CO 0.19 -1.76 0.41 -0.51 -0.68 0.00 0.00 175.30 172.95 2e7c s LEU 26 N 2.38 4.46 0.58 2.53 1.43 -1.26 -3.90 118.68 124.89 2e7c s LEU 26 Ca 0.34 0.94 -0.18 0.00 -1.03 0.00 0.00 54.13 54.20 2e7c s LEU 26 Cb -0.05 -2.58 -0.04 0.00 0.03 0.00 0.00 46.19 43.55 2e7c s LEU 26 CO -0.08 0.30 1.12 -2.16 0.23 0.00 0.00 176.35 175.77 2e7c s PRO 27 N -0.93 3.20 0.18 1.29 0.04 -1.26 -4.91 135.00 132.60 2e7c s PRO 27 Ca 0.24 1.55 0.18 0.00 0.04 0.00 0.00 61.00 63.01 2e7c s PRO 27 Cb -0.16 -1.99 0.81 0.00 0.04 0.00 0.00 34.50 33.20 2e7c s PRO 27 CO 0.13 -0.96 1.56 0.54 0.04 0.00 0.00 177.00 178.31 2e7c n ARG 28 N -1.62 0.11 0.00 4.56 5.12 -1.26 -1.34 116.66 122.23 2e7c n ARG 28 Ca 0.11 0.43 0.13 0.00 -1.93 0.00 0.00 57.85 56.59 2e7c n ARG 28 Cb 0.51 -1.75 0.45 0.00 -1.16 0.00 0.00 32.46 30.51 2e7c n ARG 28 CO 0.00 0.00 0.00 -2.39 -1.93 0.00 0.00 177.63 173.31 2e7c n HIS 29 N -1.97 0.00 -0.07 -1.55 1.44 -1.26 -3.92 115.22 107.88 2e7c n HIS 29 Ca 0.02 0.00 -0.09 0.00 -2.01 0.00 0.00 57.72 55.63 2e7c n HIS 29 Cb 0.15 -0.19 -0.09 0.00 0.12 0.00 0.00 29.99 29.98 2e7c n HIS 29 CO 0.00 0.00 0.00 1.28 -2.81 0.00 0.00 176.34 174.81 2e7c n LEU 30 N -0.98 1.58 -0.34 2.39 4.77 -0.45 -4.09 117.00 119.88 2e7c n LEU 30 Ca 0.11 -0.05 0.02 0.00 -0.03 0.00 0.00 56.01 56.06 2e7c n LEU 30 Cb 0.32 -0.16 0.16 0.00 -2.33 0.00 0.00 43.42 41.41 2e7c n LEU 30 CO 0.27 0.57 1.22 0.03 -1.33 0.00 0.00 177.39 178.15 2e7c h ARG 31 N 0.00 1.02 0.00 3.23 3.08 -1.61 -3.30 114.38 116.81 2e7c h ARG 31 Ca -0.37 -0.06 0.00 0.00 0.07 0.00 0.00 59.98 59.62 2e7c h ARG 31 Cb 1.69 -0.23 0.00 0.00 0.08 0.00 0.00 29.97 31.51 2e7c h ARG 31 CO -0.02 0.68 0.00 1.04 -1.07 0.00 0.00 179.97 180.60 2e7c n GLN 32 N -4.57 0.00 -3.59 0.04 6.02 -1.25 -4.79 117.38 109.23 2e7c n GLN 32 Ca 0.14 0.24 -0.06 0.00 -0.01 0.00 0.00 57.00 57.31 2e7c n GLN 32 Cb 0.19 -0.81 -0.02 0.00 1.02 0.00 0.00 30.24 30.62 2e7c n GLN 32 CO 0.00 0.00 0.00 0.99 -1.01 0.00 0.00 177.06 177.04 2e7c s THR 33 N -0.69 0.00 -0.22 5.09 2.01 -1.25 -4.80 115.64 115.78 2e7c s THR 33 Ca 0.00 -0.24 -0.00 0.00 0.31 0.00 0.00 61.69 61.76 2e7c s THR 33 Cb 0.00 -1.37 0.06 0.00 0.01 0.00 0.00 72.50 71.20 2e7c s THR 33 CO 0.00 0.00 -0.04 -0.47 -0.69 0.00 0.00 174.62 173.42 2e7c s TYR 34 N -3.16 2.09 -0.23 4.92 5.04 -0.99 -4.49 117.35 120.52 2e7c s TYR 34 Ca 0.08 -1.53 -0.11 0.00 -2.44 0.00 0.00 57.07 53.07 2e7c s TYR 34 Cb -0.01 -1.46 -0.05 0.00 0.35 0.00 0.00 41.96 40.79 2e7c s TYR 34 CO -0.05 -0.73 0.17 0.42 -1.34 0.00 0.00 175.55 174.01 2e7c s ILE 35 N 1.50 5.36 -0.15 3.14 -1.09 -1.26 0.61 121.20 129.31 2e7c s ILE 35 Ca -0.04 0.20 -0.13 0.00 -2.23 0.00 0.00 60.65 58.45 2e7c s ILE 35 Cb -0.18 -3.50 0.04 0.00 -1.58 0.00 0.00 42.46 37.23 2e7c s ILE 35 CO -0.07 0.35 0.39 -0.13 -1.23 0.00 0.00 174.94 174.26 2e7c s ARG 36 N 0.97 0.45 0.96 2.79 1.81 -0.93 -5.02 118.95 119.98 2e7c s ARG 36 Ca 0.08 0.57 -0.12 0.00 -1.72 0.00 0.00 55.73 54.55 2e7c s ARG 36 Cb -0.13 0.19 0.16 0.00 -0.45 0.00 0.00 34.95 34.73 2e7c s ARG 36 CO 0.04 -0.07 1.09 0.15 -0.68 0.00 0.00 175.30 175.83 2e7c s LYS 37 N 0.34 0.76 0.42 3.54 1.02 -1.26 -1.59 119.74 122.97 2e7c s LYS 37 Ca -0.01 0.84 -0.22 0.00 0.02 0.00 0.00 55.97 56.59 2e7c s LYS 37 Cb -0.03 -1.75 -0.10 0.00 -0.52 0.00 0.00 37.83 35.43 2e7c s LYS 37 CO -0.01 -2.59 1.00 0.08 -0.92 0.00 0.00 175.35 172.91 2e7c s VAL 38 N -2.84 4.03 0.00 3.17 1.01 0.59 -3.65 120.40 122.71 2e7c s VAL 38 Ca 0.65 1.39 0.00 0.00 0.00 0.00 0.00 61.98 64.02 2e7c s VAL 38 Cb -0.20 -3.64 0.00 0.00 0.00 0.00 0.00 36.38 32.55 2e7c s VAL 38 CO 0.58 -0.15 0.00 0.61 0.00 0.00 0.00 175.10 176.14 2e7c n GLY 39 N -0.12 1.86 3.68 4.51 0.00 -0.96 -4.86 105.19 109.31 2e7c n GLY 39 Ca 0.06 -0.18 -0.39 0.00 0.00 0.00 0.00 46.02 45.51 2e7c n GLY 39 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 2e7c n GLU 40 N 0.00 1.53 -2.47 1.61 -0.58 -1.24 -4.12 120.64 115.37 2e7c n GLU 40 Ca 0.00 0.56 -0.42 0.00 -0.42 0.00 0.00 57.16 56.88 2e7c n GLU 40 Cb 0.00 -2.35 -0.03 0.00 -0.57 0.00 0.00 31.44 28.49 2e7c n GLU 40 CO 0.00 0.00 0.00 -0.65 -0.48 0.00 0.00 177.13 176.00 2e7c s GLN 41 N -2.53 4.47 0.07 3.49 1.11 -1.26 -2.68 119.66 122.33 2e7c s GLN 41 Ca 0.68 1.72 -0.11 0.00 0.01 0.00 0.00 55.36 57.66 2e7c s GLN 41 Cb -0.46 -3.35 -0.06 0.00 -1.01 0.00 0.00 33.01 28.13 2e7c s GLN 41 CO 0.52 -0.18 0.40 -0.51 0.01 0.00 0.00 175.29 175.53 2e7c s LEU 42 N 0.85 4.37 -0.23 2.90 1.43 -1.21 -4.97 118.68 121.81 2e7c s LEU 42 Ca 0.56 0.82 -0.03 0.00 -1.03 0.00 0.00 54.13 54.46 2e7c s LEU 42 Cb -0.28 -2.93 0.11 0.00 0.03 0.00 0.00 46.19 43.12 2e7c s LEU 42 CO 0.30 0.19 0.24 0.21 0.23 0.00 0.00 176.35 177.52 2e7c s ASN 43 N -1.66 1.61 -0.37 2.29 3.84 -1.25 -3.15 114.94 116.25 2e7c s ASN 43 Ca 0.32 -0.45 -0.01 0.00 0.21 0.00 0.00 52.86 52.93 2e7c s ASN 43 Cb -0.14 0.37 0.09 0.00 -0.55 0.00 0.00 41.25 41.02 2e7c s ASN 43 CO 0.17 -0.35 0.12 -0.76 -2.79 0.00 0.00 177.10 173.49 2e7c s LEU 44 N 2.32 4.84 -0.62 3.21 1.43 -0.21 -4.97 118.68 124.68 2e7c s LEU 44 Ca 0.08 -1.88 -0.15 0.00 -1.03 0.00 0.00 54.13 51.15 2e7c s LEU 44 Cb -0.15 -1.76 0.16 0.00 0.03 0.00 0.00 46.19 44.46 2e7c s LEU 44 CO -0.20 -0.44 0.58 -0.69 0.23 0.00 0.00 176.35 175.82 2e7c s VAL 45 N 1.12 5.32 -0.49 -1.59 1.01 -1.26 -1.77 120.40 122.73 2e7c s VAL 45 Ca 0.06 -1.79 -0.13 0.00 0.00 0.00 0.00 61.98 60.12 2e7c s VAL 45 Cb -0.21 -4.37 0.11 0.00 0.00 0.00 0.00 36.38 31.90 2e7c s VAL 45 CO -0.04 -0.92 0.40 -0.69 0.00 0.00 0.00 175.10 173.85 2e7c s VAL 46 N 1.17 4.77 0.40 2.92 1.01 -1.01 -4.93 120.40 124.73 2e7c s VAL 46 Ca 0.07 -1.49 -0.25 0.00 0.00 0.00 0.00 61.98 60.31 2e7c s VAL 46 Cb -0.24 -4.02 -0.08 0.00 0.00 0.00 0.00 36.38 32.03 2e7c s VAL 46 CO -0.01 -0.74 1.19 -2.16 0.00 0.00 0.00 175.10 173.39 2e7c s PRO 47 N 1.51 4.05 0.01 2.72 0.04 -1.25 -3.29 135.00 138.79 2e7c s PRO 47 Ca 0.04 1.89 0.03 0.00 0.04 0.00 0.00 61.00 63.00 2e7c s PRO 47 Cb -0.27 -2.70 -0.01 0.00 0.04 0.00 0.00 34.50 31.56 2e7c s PRO 47 CO 0.02 -0.34 -0.10 -0.59 0.04 0.00 0.00 177.00 176.04 2e7c s PHE 48 N -1.38 0.90 0.44 0.56 -0.12 -1.26 -2.00 117.98 115.12 2e7c s PHE 48 Ca 0.57 -0.23 0.08 0.00 -0.05 0.00 0.00 56.93 57.30 2e7c s PHE 48 Cb -0.32 -0.57 -0.00 0.00 -0.63 0.00 0.00 43.02 41.50 2e7c s PHE 48 CO 0.40 -0.01 0.46 -0.65 -0.05 0.00 0.00 175.22 175.37 2e7c s GLN 49 N -0.52 2.58 0.00 1.99 1.11 -0.66 -4.79 119.66 119.37 2e7c s GLN 49 Ca 0.02 -1.50 0.00 0.00 0.01 0.00 0.00 55.36 53.89 2e7c s GLN 49 Cb -0.05 -2.48 0.00 0.00 -1.01 0.00 0.00 33.01 29.47 2e7c s GLN 49 CO 0.00 -0.29 0.00 0.41 0.01 0.00 0.00 175.29 175.42 2e7c n GLY 50 N -1.69 2.97 3.33 3.09 0.00 -1.24 -3.14 105.19 108.52 2e7c n GLY 50 Ca 0.05 -1.96 -0.11 0.00 0.00 0.00 0.00 46.02 44.01 2e7c n GLY 50 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2e7c s LYS 51 N -2.20 1.09 0.08 1.61 1.02 -0.56 -4.54 119.74 116.24 2e7c s LYS 51 Ca 0.00 -0.68 -0.17 0.00 0.02 0.00 0.00 55.97 55.14 2e7c s LYS 51 Cb 0.00 0.48 -0.11 0.00 -0.52 0.00 0.00 37.83 37.69 2e7c s LYS 51 CO 0.00 -0.43 1.39 -1.00 -0.92 0.00 0.00 175.35 174.39 2e7c h PRO 52 N 2.32 0.58 -2.97 -1.68 0.13 -1.94 -3.24 132.00 125.19 2e7c h PRO 52 Ca -0.34 -0.30 -0.50 0.00 -0.87 0.00 0.00 66.00 63.99 2e7c h PRO 52 Cb 1.26 0.01 -0.40 0.00 0.13 0.00 0.00 31.00 32.00 2e7c h PRO 52 CO 0.46 0.90 -0.76 0.50 -0.23 0.00 0.00 178.00 178.86 2e7c s ARG 53 N -4.34 0.17 0.68 0.86 3.52 -1.26 -5.09 118.95 113.49 2e7c s ARG 53 Ca -0.13 -0.34 -0.14 0.00 -0.13 0.00 0.00 55.73 54.99 2e7c s ARG 53 Cb 0.07 -1.54 0.01 0.00 -1.56 0.00 0.00 34.95 31.93 2e7c s ARG 53 CO 0.80 -0.84 1.11 -1.25 -0.81 0.00 0.00 175.30 174.31 2e7c s PRO 54 N 2.09 2.71 0.28 5.12 0.04 -1.26 -4.93 135.00 139.05 2e7c s PRO 54 Ca 0.05 1.35 0.03 0.00 0.04 0.00 0.00 61.00 62.47 2e7c s PRO 54 Cb -0.16 -1.94 -0.03 0.00 0.04 0.00 0.00 34.50 32.40 2e7c s PRO 54 CO -0.22 -1.31 0.43 -1.14 0.04 0.00 0.00 177.00 174.80 2e7c s GLN 55 N -4.24 3.46 -0.06 4.56 0.74 -1.01 -4.97 119.66 118.14 2e7c s GLN 55 Ca 0.66 -0.55 0.02 0.00 0.05 0.00 0.00 55.36 55.54 2e7c s GLN 55 Cb -0.20 -2.80 0.01 0.00 1.10 0.00 0.00 33.01 31.12 2e7c s GLN 55 CO 0.44 0.32 -0.13 0.08 -0.55 0.00 0.00 175.29 175.45 2e7c s VAL 56 N -2.10 1.18 -0.13 1.34 1.01 -1.26 -3.44 120.40 117.00 2e7c s VAL 56 Ca 0.37 -0.51 0.00 0.00 0.00 0.00 0.00 61.98 61.84 2e7c s VAL 56 Cb -0.09 -1.07 0.02 0.00 0.00 0.00 0.00 36.38 35.24 2e7c s VAL 56 CO 0.32 0.36 -0.12 -0.69 0.00 0.00 0.00 175.10 174.97 2e7c s VAL 57 N 0.59 1.35 -0.21 2.92 1.01 -0.13 -4.97 120.40 120.96 2e7c s VAL 57 Ca -0.14 -0.50 -0.03 0.00 0.00 0.00 0.00 61.98 61.31 2e7c s VAL 57 Cb -0.15 -1.30 -0.01 0.00 0.00 0.00 0.00 36.38 34.93 2e7c s VAL 57 CO 0.04 0.42 -0.06 0.26 0.00 0.00 0.00 175.10 175.76 2e7c s TRP 58 N 1.51 2.94 -0.03 5.22 0.52 -1.26 -2.51 118.94 125.31 2e7c s TRP 58 Ca 0.03 -1.00 -0.02 0.00 0.02 0.00 0.00 56.10 55.14 2e7c s TRP 58 Cb -0.13 -2.08 0.02 0.00 -1.15 0.00 0.00 33.47 30.13 2e7c s TRP 58 CO -0.09 -0.56 0.08 0.95 0.02 0.00 0.00 176.95 177.35 2e7c s THR 59 N 1.42 -0.02 -0.16 2.01 -4.23 -1.19 -4.57 115.64 108.89 2e7c s THR 59 Ca 0.05 0.08 -0.00 0.00 -1.18 0.00 0.00 61.69 60.64 2e7c s THR 59 Cb -0.14 -0.13 0.13 0.00 1.34 0.00 0.00 72.50 73.70 2e7c s THR 59 CO -0.04 0.03 1.78 0.29 -0.54 0.00 0.00 174.62 176.14 2e7c n LYS 60 N 3.52 1.41 0.00 3.99 5.02 -1.26 -0.22 118.16 130.62 2e7c n LYS 60 Ca -0.18 -0.84 0.00 0.00 -2.02 0.00 0.00 58.31 55.27 2e7c n LYS 60 Cb 0.56 -1.33 0.00 0.00 -0.02 0.00 0.00 35.03 34.24 2e7c n LYS 60 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 2e7c n GLY 61 N 0.63 1.00 1.37 0.72 0.00 -1.14 -4.59 105.19 103.18 2e7c n GLY 61 Ca 0.16 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.18 2e7c n GLY 61 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2e7c n GLY 62 N 0.00 0.36 3.62 -0.02 0.00 -1.26 -5.11 105.19 102.79 2e7c n GLY 62 Ca 0.00 -0.29 -0.06 0.00 0.00 0.00 0.00 46.02 45.67 2e7c n GLY 62 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2e7c s ALA 63 N -2.91 -2.06 0.13 4.61 0.00 -1.26 -5.15 121.76 115.13 2e7c s ALA 63 Ca 0.00 1.75 -0.31 0.00 0.00 0.00 0.00 51.96 53.40 2e7c s ALA 63 Cb 0.00 -1.30 -0.08 0.00 0.00 0.00 0.00 23.12 21.74 2e7c s ALA 63 CO 0.00 -0.23 1.35 -1.25 0.00 0.00 0.00 175.76 175.62 2e7c s PRO 64 N -0.64 4.35 0.49 0.00 0.04 -1.26 -4.02 135.00 133.95 2e7c s PRO 64 Ca 0.04 2.04 -0.21 0.00 0.04 0.00 0.00 61.00 62.91 2e7c s PRO 64 Cb -0.02 -3.24 -0.08 0.00 0.04 0.00 0.00 34.50 31.20 2e7c s PRO 64 CO -0.06 -0.37 1.09 -0.51 0.04 0.00 0.00 177.00 177.19 2e7c s LEU 65 N 0.75 3.88 -0.63 -3.56 1.43 -1.26 -4.96 118.68 114.33 2e7c s LEU 65 Ca 0.62 2.08 -0.28 0.00 -1.03 0.00 0.00 54.13 55.52 2e7c s LEU 65 Cb -0.36 -4.47 0.02 0.00 0.03 0.00 0.00 46.19 41.41 2e7c s LEU 65 CO 0.32 -0.90 1.34 -1.81 0.23 0.00 0.00 176.35 175.53 2e7c s ASP 66 N -1.77 6.16 0.00 2.29 1.01 -1.26 -4.89 116.67 118.21 2e7c s ASP 66 Ca 0.67 0.00 -0.05 0.00 0.71 0.00 0.00 52.55 53.89 2e7c s ASP 66 Cb -0.21 -2.55 -0.20 0.00 1.01 0.00 0.00 42.92 40.96 2e7c s ASP 66 CO 0.25 -1.74 3.02 0.35 0.21 0.00 0.00 175.17 177.26 2e7c n THR 67 N 6.68 2.49 0.00 -1.27 -2.24 -1.26 -3.03 114.28 115.64 2e7c n THR 67 Ca 0.09 -1.19 0.00 0.00 -2.27 0.00 0.00 64.05 60.68 2e7c n THR 67 Cb 0.49 -1.87 0.00 0.00 -2.10 0.00 0.00 70.33 66.85 2e7c n THR 67 CO 0.00 0.00 0.00 -1.20 -0.57 0.00 0.00 175.07 173.30 2e7c n SER 68 N 2.44 2.44 0.00 3.42 7.64 -1.26 -4.87 113.62 123.43 2e7c n SER 68 Ca 0.32 0.00 0.00 0.00 1.01 0.00 0.00 58.87 60.20 2e7c n SER 68 Cb 0.75 0.19 0.00 0.00 -1.01 0.00 0.00 64.21 64.14 2e7c n SER 68 CO 0.00 0.00 0.00 0.54 -3.01 0.00 0.00 175.04 172.57 2e7c n ARG 69 N -1.45 1.45 -3.19 1.43 1.74 -1.20 -5.03 116.66 110.40 2e7c n ARG 69 Ca 0.00 0.00 -0.39 0.00 -0.77 0.00 0.00 57.85 56.69 2e7c n ARG 69 Cb 0.26 -0.99 -0.06 0.00 -1.02 0.00 0.00 32.46 30.65 2e7c n ARG 69 CO 0.00 0.00 0.00 0.08 -1.52 0.00 0.00 177.63 176.19 2e7c s VAL 70 N -1.98 4.73 -0.62 1.55 1.01 -1.17 -4.53 120.40 119.39 2e7c s VAL 70 Ca 0.00 1.32 0.04 0.00 0.00 0.00 0.00 61.98 63.35 2e7c s VAL 70 Cb 0.00 -3.96 0.16 0.00 0.00 0.00 0.00 36.38 32.59 2e7c s VAL 70 CO 0.00 0.50 0.42 -1.00 0.00 0.00 0.00 175.10 175.02 2e7c s HIS 71 N -0.79 3.06 -0.24 5.22 3.76 -1.23 -4.78 115.29 120.29 2e7c s HIS 71 Ca 0.31 -3.11 -0.22 0.00 -0.15 0.00 0.00 55.06 51.89 2e7c s HIS 71 Cb -0.20 -2.41 -0.02 0.00 1.11 0.00 0.00 32.58 31.06 2e7c s HIS 71 CO 0.20 -0.63 0.68 0.08 -0.85 0.00 0.00 174.74 174.23 2e7c s VAL 72 N -0.97 4.95 -0.55 -0.90 1.01 -1.26 -3.76 120.40 118.91 2e7c s VAL 72 Ca 0.24 1.26 -0.07 0.00 0.00 0.00 0.00 61.98 63.41 2e7c s VAL 72 Cb -0.08 -3.99 0.14 0.00 0.00 0.00 0.00 36.38 32.46 2e7c s VAL 72 CO -0.14 0.01 0.40 -0.60 0.00 0.00 0.00 175.10 174.78 2e7c s ARG 73 N 2.52 2.56 -0.13 2.72 3.52 -0.42 -5.00 118.95 124.72 2e7c s ARG 73 Ca 0.29 -2.09 -0.23 0.00 -0.13 0.00 0.00 55.73 53.57 2e7c s ARG 73 Cb -0.15 -3.87 -0.03 0.00 -1.56 0.00 0.00 34.95 29.34 2e7c s ARG 73 CO 0.08 -1.18 0.72 0.99 -0.81 0.00 0.00 175.30 175.11 2e7c s THR 74 N 0.75 4.99 -0.07 4.11 2.01 -1.26 -1.82 115.64 124.35 2e7c s THR 74 Ca 0.11 1.43 0.03 0.00 0.31 0.00 0.00 61.69 63.57 2e7c s THR 74 Cb -0.22 -4.04 -0.02 0.00 0.01 0.00 0.00 72.50 68.22 2e7c s THR 74 CO -0.03 0.15 -0.14 -0.55 -0.69 0.00 0.00 174.62 173.36 2e7c s SER 75 N 1.01 4.06 0.57 3.53 0.15 0.50 -4.97 113.70 118.55 2e7c s SER 75 Ca 0.35 -0.22 0.43 0.00 0.70 0.00 0.00 55.95 57.22 2e7c s SER 75 Cb -0.17 -1.04 1.48 0.00 -1.71 0.00 0.00 66.02 64.58 2e7c s SER 75 CO 0.14 0.31 1.48 -0.90 1.20 0.00 0.00 173.24 175.47 2e7c n ASP 76 N 2.58 0.00 -0.06 5.45 5.75 -1.26 -0.44 116.55 128.57 2e7c n ASP 76 Ca -0.17 0.92 -0.01 0.00 -0.01 0.00 0.00 54.79 55.51 2e7c n ASP 76 Cb 0.52 -0.42 -0.01 0.00 -1.03 0.00 0.00 41.12 40.18 2e7c n ASP 76 CO 0.00 0.00 0.00 -0.26 -0.11 0.00 0.00 177.20 176.83 2e7c h PHE 77 N 0.00 0.00 -3.87 2.11 -1.00 -1.93 -3.45 116.94 108.80 2e7c h PHE 77 Ca 0.80 0.00 -0.10 0.00 2.81 0.00 0.00 57.97 61.48 2e7c h PHE 77 Cb 3.54 0.00 -0.13 0.00 3.61 0.00 0.00 35.95 42.97 2e7c h PHE 77 CO 0.00 0.03 -0.34 0.16 -1.61 0.00 0.00 178.31 176.56 2e7c s ASP 78 N -5.61 0.06 -0.04 2.17 -4.77 0.41 -4.09 116.67 104.80 2e7c s ASP 78 Ca -0.04 -0.81 -0.08 0.00 -3.30 0.00 0.00 52.55 48.33 2e7c s ASP 78 Cb 0.00 0.41 -0.05 0.00 -1.09 0.00 0.00 42.92 42.19 2e7c s ASP 78 CO 0.07 -0.84 0.24 0.28 0.70 0.00 0.00 175.17 175.61 2e7c s THR 79 N -3.94 5.34 -0.05 2.11 -1.32 -1.21 -0.37 115.64 116.21 2e7c s THR 79 Ca 0.14 0.28 0.04 0.00 -1.21 0.00 0.00 61.69 60.94 2e7c s THR 79 Cb 0.04 -3.53 -0.00 0.00 -1.51 0.00 0.00 72.50 67.50 2e7c s THR 79 CO -0.03 0.49 -0.17 -0.69 -2.21 0.00 0.00 174.62 172.01 2e7c s VAL 80 N -1.17 1.42 -0.08 5.08 1.01 -0.75 -2.40 120.40 123.51 2e7c s VAL 80 Ca 0.22 -0.70 0.05 0.00 0.00 0.00 0.00 61.98 61.55 2e7c s VAL 80 Cb -0.13 -1.23 -0.00 0.00 0.00 0.00 0.00 36.38 35.01 2e7c s VAL 80 CO 0.11 0.41 -0.23 0.12 0.00 0.00 0.00 175.10 175.51 2e7c s PHE 81 N 0.13 2.40 0.04 5.22 2.19 -0.73 -1.30 117.98 125.93 2e7c s PHE 81 Ca -0.06 -0.88 0.01 0.00 0.33 0.00 0.00 56.93 56.33 2e7c s PHE 81 Cb -0.12 -1.60 -0.03 0.00 -1.31 0.00 0.00 43.02 39.96 2e7c s PHE 81 CO 0.03 -0.33 -0.05 0.12 1.83 0.00 0.00 175.22 176.81 2e7c s PHE 82 N 0.18 0.51 -0.05 10.12 5.36 -1.25 -1.04 117.98 131.81 2e7c s PHE 82 Ca -0.13 -0.60 -0.01 0.00 -0.96 0.00 0.00 56.93 55.23 2e7c s PHE 82 Cb -0.16 -0.32 0.03 0.00 -0.34 0.00 0.00 43.02 42.22 2e7c s PHE 82 CO 0.07 -0.16 0.02 0.08 -1.46 0.00 0.00 175.22 173.77 2e7c s VAL 83 N -1.82 0.13 0.07 3.12 1.01 -1.19 -3.53 120.40 118.20 2e7c s VAL 83 Ca -0.09 0.23 -0.14 0.00 0.00 0.00 0.00 61.98 61.98 2e7c s VAL 83 Cb -0.07 -0.30 -0.03 0.00 0.00 0.00 0.00 36.38 35.97 2e7c s VAL 83 CO -0.02 0.19 1.07 -1.14 0.00 0.00 0.00 175.10 175.20 2e7c n ARG 84 N 4.89 -0.20 -4.15 2.72 3.00 -1.26 -3.36 116.66 118.30 2e7c n ARG 84 Ca -0.12 1.05 -0.20 0.00 -0.00 0.00 0.00 57.85 58.59 2e7c n ARG 84 Cb 0.50 -1.56 -0.16 0.00 0.00 0.00 0.00 32.46 31.24 2e7c n ARG 84 CO 0.00 0.00 0.00 1.14 0.00 0.00 0.00 177.63 178.77 2e7c s GLN 85 N -4.32 0.78 -0.43 -0.14 -2.07 -1.26 -4.34 119.66 107.87 2e7c s GLN 85 Ca -0.05 -0.09 -0.28 0.00 -1.82 0.00 0.00 55.36 53.11 2e7c s GLN 85 Cb 0.05 -0.80 0.00 0.00 -1.09 0.00 0.00 33.01 31.17 2e7c s GLN 85 CO 0.28 -0.08 1.54 0.00 -1.32 0.00 0.00 175.29 175.71 2e7c s ALA 86 N 0.90 2.89 -0.08 2.60 0.00 -1.09 -4.75 121.76 122.23 2e7c s ALA 86 Ca -0.11 -0.19 -0.06 0.00 0.00 0.00 0.00 51.96 51.60 2e7c s ALA 86 Cb -0.14 -4.02 -0.04 0.00 0.00 0.00 0.00 23.12 18.92 2e7c s ALA 86 CO 0.00 -2.67 0.16 0.00 0.00 0.00 0.00 175.76 173.25 2e7c s ALA 87 N 6.20 3.89 0.62 0.00 0.00 -1.26 -2.25 121.76 128.96 2e7c s ALA 87 Ca 0.65 -0.65 0.22 0.00 0.00 0.00 0.00 51.96 52.17 2e7c s ALA 87 Cb -0.15 -1.97 0.96 0.00 0.00 0.00 0.00 23.12 21.96 2e7c s ALA 87 CO 0.31 0.65 1.47 0.00 0.00 0.00 0.00 175.76 178.19 2e7c h ARG 88 N 4.65 0.00 -0.07 0.00 3.08 -1.93 0.56 114.38 120.67 2e7c h ARG 88 Ca -0.53 0.00 -0.08 0.00 0.07 0.00 0.00 59.98 59.44 2e7c h ARG 88 Cb 1.22 0.00 0.00 0.00 0.08 0.00 0.00 29.97 31.27 2e7c h ARG 88 CO 0.61 0.00 -0.27 1.03 -1.07 0.00 0.00 179.97 180.27 2e7c h SER 89 N 0.00 0.35 -1.26 7.04 0.87 -1.97 -3.18 113.55 115.41 2e7c h SER 89 Ca 0.24 -0.63 0.38 0.00 -1.23 0.00 0.00 61.79 60.55 2e7c h SER 89 Cb 1.94 -0.10 -0.11 0.00 -0.44 0.00 0.00 62.40 63.69 2e7c h SER 89 CO -0.00 0.93 0.83 0.44 -0.53 0.00 0.00 176.83 178.49 2e7c h ASP 90 N -0.20 0.27 -0.65 6.23 5.19 -0.25 -3.40 116.42 123.62 2e7c h ASP 90 Ca -0.01 0.10 -0.68 0.00 -0.62 0.00 0.00 57.03 55.82 2e7c h ASP 90 Cb 0.91 0.07 -0.03 0.00 0.18 0.00 0.00 39.33 40.46 2e7c h ASP 90 CO 0.06 -0.08 1.43 -1.20 -3.12 0.00 0.00 179.24 176.33 2e7c n SER 91 N -4.59 1.50 0.00 6.45 7.64 -1.20 -4.76 113.62 118.66 2e7c n SER 91 Ca 0.33 0.43 0.00 0.00 1.01 0.00 0.00 58.87 60.64 2e7c n SER 91 Cb 1.28 -1.13 0.00 0.00 -1.01 0.00 0.00 64.21 63.35 2e7c n SER 91 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 2e7c n GLY 92 N 6.83 2.93 2.89 0.23 0.00 -1.00 -4.97 105.19 112.10 2e7c n GLY 92 Ca 0.48 -0.42 -0.29 0.00 0.00 0.00 0.00 46.02 45.79 2e7c n GLY 92 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 2e7c s GLU 93 N 2.05 1.42 -0.30 1.61 2.12 -1.26 -1.13 118.70 123.22 2e7c s GLU 93 Ca 0.00 -0.73 -0.19 0.00 0.36 0.00 0.00 54.97 54.41 2e7c s GLU 93 Cb 0.00 -2.31 -0.02 0.00 0.26 0.00 0.00 34.13 32.07 2e7c s GLU 93 CO 0.00 -0.54 0.56 0.71 -0.54 0.00 0.00 175.26 175.45 2e7c s TYR 94 N 1.55 3.23 -0.42 5.30 1.51 -0.73 -2.87 117.35 124.91 2e7c s TYR 94 Ca -0.03 0.52 -0.19 0.00 -1.01 0.00 0.00 57.07 56.36 2e7c s TYR 94 Cb -0.17 -2.87 0.02 0.00 -0.11 0.00 0.00 41.96 38.83 2e7c s TYR 94 CO -0.07 -0.41 0.53 -2.00 -1.11 0.00 0.00 175.55 172.49 2e7c s GLU 95 N 2.44 3.21 -0.26 -0.62 2.12 0.69 0.59 118.70 126.88 2e7c s GLU 95 Ca 0.22 -0.55 -0.14 0.00 0.36 0.00 0.00 54.97 54.86 2e7c s GLU 95 Cb -0.15 -3.95 -0.04 0.00 0.26 0.00 0.00 34.13 30.25 2e7c s GLU 95 CO 0.11 -0.91 0.33 -1.17 -0.54 0.00 0.00 175.26 173.09 2e7c s LEU 96 N 2.45 4.06 0.02 2.70 1.98 -0.64 -3.18 118.68 126.08 2e7c s LEU 96 Ca 0.17 0.28 0.05 0.00 -2.89 0.00 0.00 54.13 51.74 2e7c s LEU 96 Cb -0.16 -2.37 -0.02 0.00 0.66 0.00 0.00 46.19 44.30 2e7c s LEU 96 CO 0.16 -0.12 -0.15 -0.44 -1.89 0.00 0.00 176.35 173.91 2e7c s SER 97 N 1.49 1.76 -0.30 3.68 0.01 -1.04 0.10 113.70 119.39 2e7c s SER 97 Ca 0.14 -0.40 -0.02 0.00 1.31 0.00 0.00 55.95 56.98 2e7c s SER 97 Cb -0.15 -0.14 0.05 0.00 0.21 0.00 0.00 66.02 65.98 2e7c s SER 97 CO 0.09 0.09 0.01 -0.69 0.41 0.00 0.00 173.24 173.15 2e7c s VAL 98 N -0.67 3.09 -0.31 3.43 1.01 -0.08 -0.95 120.40 125.92 2e7c s VAL 98 Ca 0.04 -1.32 -0.20 0.00 0.00 0.00 0.00 61.98 60.50 2e7c s VAL 98 Cb -0.07 -2.76 -0.01 0.00 0.00 0.00 0.00 36.38 33.54 2e7c s VAL 98 CO 0.01 -0.09 0.60 -1.58 0.00 0.00 0.00 175.10 174.03 2e7c s GLN 99 N 1.28 3.88 0.26 2.72 0.74 -1.22 -0.60 119.66 126.72 2e7c s GLN 99 Ca -0.04 0.23 0.09 0.00 0.05 0.00 0.00 55.36 55.69 2e7c s GLN 99 Cb -0.19 -3.73 -0.04 0.00 1.10 0.00 0.00 33.01 30.14 2e7c s GLN 99 CO -0.01 -0.56 0.05 0.42 -0.55 0.00 0.00 175.29 174.64 2e7c s ILE 100 N 2.55 3.71 0.15 -2.34 -1.09 0.16 -2.40 121.20 121.93 2e7c s ILE 100 Ca 0.24 -1.78 -0.10 0.00 -2.23 0.00 0.00 60.65 56.78 2e7c s ILE 100 Cb -0.15 -2.99 0.17 0.00 -1.58 0.00 0.00 42.46 37.90 2e7c s ILE 100 CO 0.12 -0.37 0.96 -0.62 -1.23 0.00 0.00 174.94 173.80 2e7c n GLU 101 N -0.97 -0.13 0.00 2.79 -0.58 -1.26 -3.21 120.64 117.27 2e7c n GLU 101 Ca -0.07 0.95 0.00 0.00 -0.42 0.00 0.00 57.16 57.62 2e7c n GLU 101 Cb 0.59 -1.41 0.00 0.00 -0.57 0.00 0.00 31.44 30.05 2e7c n GLU 101 CO 0.00 0.00 0.00 0.09 -0.48 0.00 0.00 177.13 176.74 2e7c n ASN 102 N -4.92 3.31 -4.91 1.62 4.13 -1.26 -5.07 115.26 108.15 2e7c n ASN 102 Ca 0.07 0.00 -0.27 0.00 1.68 0.00 0.00 54.58 56.06 2e7c n ASN 102 Cb 0.26 0.41 0.02 0.00 -1.54 0.00 0.00 39.78 38.93 2e7c n ASN 102 CO 0.00 0.00 0.00 -0.04 0.28 0.00 0.00 177.26 177.50 2e7c s MET 103 N -1.58 3.18 -0.20 3.52 -1.94 -1.20 -5.10 119.30 115.98 2e7c s MET 103 Ca 0.00 0.09 -0.21 0.00 -1.71 0.00 0.00 55.69 53.87 2e7c s MET 103 Cb 0.00 -2.31 0.06 0.00 2.01 0.00 0.00 34.83 34.59 2e7c s MET 103 CO 0.00 -0.50 0.58 0.21 -0.01 0.00 0.00 175.02 175.29 2e7c s LYS 104 N -4.90 0.70 0.18 2.03 2.36 -1.26 0.36 119.74 119.21 2e7c s LYS 104 Ca 0.51 0.74 0.04 0.00 -2.55 0.00 0.00 55.97 54.71 2e7c s LYS 104 Cb -0.10 0.34 -0.05 0.00 -1.05 0.00 0.00 37.83 36.97 2e7c s LYS 104 CO 0.45 -0.10 -0.06 0.34 1.55 0.00 0.00 175.35 177.53 2e7c s ASP 105 N 0.16 1.77 0.12 1.43 -1.08 0.24 -4.96 116.67 114.34 2e7c s ASP 105 Ca -0.01 -1.09 -0.05 0.00 -0.52 0.00 0.00 52.55 50.88 2e7c s ASP 105 Cb -0.04 0.00 -0.02 0.00 -1.46 0.00 0.00 42.92 41.40 2e7c s ASP 105 CO 0.01 -0.41 0.14 0.42 0.52 0.00 0.00 175.17 175.86 2e7c s THR 106 N -3.38 0.12 0.12 1.71 -4.23 -1.26 -0.91 115.64 107.82 2e7c s THR 106 Ca 0.21 -1.57 -0.24 0.00 -1.18 0.00 0.00 61.69 58.90 2e7c s THR 106 Cb 0.04 -1.74 0.08 0.00 1.34 0.00 0.00 72.50 72.22 2e7c s THR 106 CO 0.03 -0.55 0.69 0.00 -0.54 0.00 0.00 174.62 174.25 2e7c s ALA 107 N -3.96 -1.64 -0.10 3.99 0.00 0.28 -4.88 121.76 115.45 2e7c s ALA 107 Ca 0.15 0.59 -0.00 0.00 0.00 0.00 0.00 51.96 52.70 2e7c s ALA 107 Cb 0.06 0.76 0.02 0.00 0.00 0.00 0.00 23.12 23.96 2e7c s ALA 107 CO -0.04 -0.76 -0.07 0.99 0.00 0.00 0.00 175.76 175.88 2e7c s THR 108 N -3.58 0.94 0.19 0.00 2.01 -1.26 -1.62 115.64 112.31 2e7c s THR 108 Ca 0.03 -0.25 0.07 0.00 0.31 0.00 0.00 61.69 61.84 2e7c s THR 108 Cb -0.01 -0.96 -0.04 0.00 0.01 0.00 0.00 72.50 71.50 2e7c s THR 108 CO -0.11 0.35 0.07 -0.63 -0.69 0.00 0.00 174.62 173.60 2e7c s ILE 109 N 1.59 4.03 -0.11 1.82 1.01 0.20 -4.83 121.20 124.92 2e7c s ILE 109 Ca 0.02 -1.35 -0.00 0.00 0.00 0.00 0.00 60.65 59.32 2e7c s ILE 109 Cb -0.13 -3.07 0.02 0.00 0.01 0.00 0.00 42.46 39.30 2e7c s ILE 109 CO -0.06 -0.16 -0.08 -0.13 0.00 0.00 0.00 174.94 174.51 2e7c s ARG 110 N -3.15 1.56 -0.04 2.79 0.52 -1.24 -1.78 118.95 117.61 2e7c s ARG 110 Ca 0.29 -0.28 0.06 0.00 -0.52 0.00 0.00 55.73 55.29 2e7c s ARG 110 Cb -0.09 -1.57 -0.02 0.00 0.52 0.00 0.00 34.95 33.79 2e7c s ARG 110 CO 0.21 -0.23 -0.22 0.42 0.02 0.00 0.00 175.30 175.50 2e7c s ILE 111 N 1.56 2.34 -0.03 1.52 1.01 -0.28 -2.33 121.20 124.99 2e7c s ILE 111 Ca 0.02 -0.99 0.02 0.00 0.00 0.00 0.00 60.65 59.70 2e7c s ILE 111 Cb -0.13 -1.85 0.01 0.00 0.01 0.00 0.00 42.46 40.50 2e7c s ILE 111 CO -0.07 0.58 -0.06 -0.60 0.00 0.00 0.00 174.94 174.79 2e7c s ARG 112 N -0.53 0.78 0.14 2.79 3.52 0.20 -2.38 118.95 123.48 2e7c s ARG 112 Ca 0.07 -0.17 0.09 0.00 -0.13 0.00 0.00 55.73 55.59 2e7c s ARG 112 Cb -0.11 -0.76 -0.04 0.00 -1.56 0.00 0.00 34.95 32.48 2e7c s ARG 112 CO 0.00 0.01 -0.17 0.08 -0.81 0.00 0.00 175.30 174.42 2e7c s VAL 113 N 0.51 2.85 0.05 7.11 1.01 -1.26 -2.19 120.40 128.47 2e7c s VAL 113 Ca -0.07 -1.61 0.01 0.00 0.00 0.00 0.00 61.98 60.31 2e7c s VAL 113 Cb -0.11 -2.34 -0.03 0.00 0.00 0.00 0.00 36.38 33.90 2e7c s VAL 113 CO 0.00 0.02 -0.06 0.68 0.00 0.00 0.00 175.10 175.75 2e7c s VAL 114 N -1.35 0.41 -0.15 2.92 -7.23 -0.62 -4.89 120.40 109.49 2e7c s VAL 114 Ca 0.20 -1.31 -0.15 0.00 -1.81 0.00 0.00 61.98 58.90 2e7c s VAL 114 Cb -0.10 -0.86 -0.04 0.00 0.56 0.00 0.00 36.38 35.94 2e7c s VAL 114 CO 0.11 -0.60 0.36 -1.83 -0.31 0.00 0.00 175.10 172.83 2e7c s GLU 115 N -2.34 4.28 0.13 4.82 -1.05 -1.26 -0.30 118.70 122.98 2e7c s GLU 115 Ca -0.05 0.22 -0.21 0.00 -0.15 0.00 0.00 54.97 54.78 2e7c s GLU 115 Cb -0.04 -3.44 -0.02 0.00 -0.44 0.00 0.00 34.13 30.19 2e7c s GLU 115 CO -0.03 0.19 1.69 -0.22 0.95 0.00 0.00 175.26 177.84 2e7c h LYS 116 N 6.75 -0.08 -5.90 -4.83 3.11 -1.96 -3.33 116.57 110.34 2e7c h LYS 116 Ca -0.41 0.01 -0.49 0.00 -2.81 0.00 0.00 60.65 56.95 2e7c h LYS 116 Cb 1.17 0.02 -0.08 0.00 -1.00 0.00 0.00 32.23 32.34 2e7c h LYS 116 CO 0.75 -0.05 1.30 0.00 -2.81 0.00 0.00 179.45 178.63 2e7c s ALA 117 N -6.18 2.36 0.00 5.00 0.00 -1.26 -5.15 121.76 116.54 2e7c s ALA 117 Ca -0.14 -2.08 0.00 0.00 0.00 0.00 0.00 51.96 49.74 2e7c s ALA 117 Cb 0.10 -4.57 0.00 0.00 0.00 0.00 0.00 23.12 18.66 2e7c s ALA 117 CO 0.68 -4.11 0.05 0.41 0.00 0.00 0.00 175.76 172.79